Hydrogen Bromide → Tert-butyl 4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate

HRID 125347Notes

Reaction equation

HRID 125347 reaction equation
[BrH:29].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH3:28])[N:11]([c:14]2[n:15][c:16]([Cl:27])[n:17][c:18](-[c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[cH:19]2)[CH2:12][CH2:13]1.[CH3:30][CH:31]1[NH:32][CH2:33][CH2:34][CH2:35]1.[K+:36].[K+:37].[O-:38][C:39]([O-:40])=[O:41].[OH2:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH3:28])[N:11]([c:14]2[n:15][c:16]([N:32]3[CH:31]([CH3:30])[CH2:35][CH2:34][CH2:33]3)[n:17][c:18](-[c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[cH:19]2)[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 260Hydrogen BromideHCID 813Potassium Cation2×HCID 962WaterHCID 130032-MethylpyrrolidineHCID 19660Carbonate IonHCID 72236435Tert-butyl 4-[2-chloro-6-(4-fluorophenyl)pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate

Product 1

HCID 66838896Tert-butyl 4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate

Sources & evidence

ORD record
ord-e8794eafb48d4975a8624f335fd3949e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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